title: Phase behavior of a confined nanodroplet in the grand-canonical ensemble: the reverse liquid-vapor transition.
abstract: The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nanosized spherical cavities at a constant chemical potential was determined using Monte Carlo simulations. The results describe both a single cavity with semi-permeable walls as well as a collection of closed cavities formed at the constant chemical potential. The results are compared to calculations using classical density functional theory (DFT). It is found that the DFT calculations give a quantitatively accurate description of the pressure and structure of the fluid. Both theory and simulation show the presence of a 'reverse' liquid-vapor transition whereby the equilibrium state is a liquid at large volumes but becomes a vapor at small volumes.
authors.affiliation: Center for Nonlinear Phenomena and Complex Systems CP 231, Université Libre de Bruxelles, Boulevard du Triomphe, 1050 Brussels, Belgium. jlutsko@ulb.ac.be
authors.forename: James F
authors.initials: JF
authors.lastname: Lutsko
authors.forename: Julien
authors.initials: J
authors.lastname: Laidet
authors.forename: Patrick
authors.initials: P
authors.lastname: Grosfils